| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:01 UTC |
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| Update Date | 2025-03-21 18:37:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117684 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C13H14N2O6S |
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| Molecular Mass | 326.0573 |
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| SMILES | CC(=O)NCCc1cc(=O)c2cccc(OS(=O)(=O)O)c2[nH]1 |
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| InChI Key | NVEZHHZJJAWQCR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesarylsulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amidessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoestercarbonyl grouppolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineacetamidevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemethylpyridinecarboxamide groupsecondary carboxylic acid amidedihydroquinolonepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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